CID 3068588

Pyrrolo(3,2-b)(1,5)benzodiazepin-10(1h)-one, 4,9-dihydro-4-((diethylamino)acetyl)-1,3-dimethyl-

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CCN(CC)CC(=O)N1C2=CC=CC=C2NC(=O)C3=C1C(=CN3C)C
InChI
InChI=1S/C19H24N4O2/c1-5-22(6-2)12-16(24)23-15-10-8-7-9-14(15)20-19(25)18-17(23)13(3)11-21(18)4/h7-11H,5-6,12H2,1-4H3,(H,20,25)
InChIKey
OMGRWANAOURKNO-UHFFFAOYSA-N
Compound name
10-[2-(diethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

340.1899 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.197176 182.5
[M+Na]+ 363.179118 190.0
[M-H]- 339.182624 186.0
[M+NH4]+ 358.223723 195.6
[M+K]+ 379.153058 189.5
[M+H-H2O]+ 323.187160 173.6
[M+HCOO]- 385.188101 198.3
[M+CH3COO]- 399.203751 218.7
[M+Na-2H]- 361.164566 182.6
[M]+ 340.18935142 182.7
[M]- 340.19044858 182.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe